Vitas-M small molecule compound
(2'S,3S,3'S,10b'R)-3'-(1,3-benzodioxol-5-ylcarbonyl)-2'-[(3-methoxyphenyl)carbonyl]-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Catalog ID
STK587549
SMILES COc1cccc(c1)C(=O)[C@@H]1[C@@H](C(=O)c2ccc3c(c2)OCO3)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C35H26N2O6 MW 570.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H26N2O6/c1-41-23-9-6-8-21(17-23)31(38)29-30(32(39)22-13-14-27-28(18-22)43-19-42-27)37-16-15-20-7-2-3-10-24(20)33(37)35(29)25-11-4-5-12-26(25)36-34(35)40/h2-18,29-30,33H,19H2,1H3,(H,36,40)/t29-,30-,33+,35+/m0/s1InChIKey
VHSJHNMGXXIYGX-CXNUKBDRSA-NSynonyms
1212083-67-4(1S2S3S10bR)3(benzo(d)(13)dioxole5carbonyl)2(3methoxybenzoyl)310bdihydro2Hspiro(indoline31pyrrolo(21a)isoquinolin)2one
(2S3S3S10bR)3(13benzodioxol5ylcarbonyl)2((3methoxyphenyl)carbonyl)23dihydro10bHspiro(indole31pyrrolo(21a)isoquinolin)2(1H)one
(2S3S3S10bR)3(13benzodioxole5carbonyl)2(3methoxybenzoyl)spiro(1Hindole31310bdihydro2Hpyrrolo(21a)isoquinoline)2one
1212083674
COC1=CC=CC(=C1)C(=O)C2C(N3C=CC4=CC=CC=C4C3C25C6=CC=CC=C6NC5=O)C(=O)C7=CC8=C(C=C7)OCO8
COc1cccc(c1)C(=O)(C@@H)1(C@@H)(C(=O)c2ccc3c(c2)OCO3)N2(C@@H)((C@@)31C(=O)Nc1c3cccc1)c1ccccc1C=C2
InChI=1SC35H26N2O6c1412396821(1723)31(38)2930(32(39)2213142728(1822)43194227)371615207231024(20)33(37)35(29)2511451226(25)3634(35)40h218293033H19H21H3(H3640)t293033+35+m0s1
MFCD18158319
ZINC000101673560
ZINC101673560
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